Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7214360
Preview
Coordinates | 7214360.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2:1 pico:adi |
---|---|
Formula | C9 H11 N2 O3 |
Calculated formula | C9 H11 N2 O3 |
Title of publication | Can picolinamide be a promising cocrystal former? |
Authors of publication | Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 21 |
Pages of publication | 4365 |
a | 7.546 ± 0.002 Å |
b | 11.745 ± 0.003 Å |
c | 10.595 ± 0.003 Å |
α | 90° |
β | 90.21 ± 0.013° |
γ | 90° |
Cell volume | 939 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0342 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.0824 |
Weighted residual factors for all reflections included in the refinement | 0.0855 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180474 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/43. |
7214360.cif |
116182 | 2014-06-07 | cif/ Updating files of 7214357, 7214358, 7214359, 7214360, 7214361, 7214362, 7214363, 7214364, 7214365 Original log message: Adding full bibliography for 7214357--7214365.cif. |
7214360.cif |
109490 | 2014-04-15 | cif/ Adding structures of 7214357, 7214358, 7214359, 7214360, 7214361, 7214362, 7214363, 7214364, 7214365 via cif-deposit CGI script. |
7214360.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.